CID 171120241

(z)-8,11-dihydroxypentadec-6-en-9-ynoic acid

Structural Information

Molecular Formula
C15H24O4
SMILES
CCCCC(C#CC(/C=C\CCCCC(=O)O)O)O
InChI
InChI=1S/C15H24O4/c1-2-3-8-13(16)11-12-14(17)9-6-4-5-7-10-15(18)19/h6,9,13-14,16-17H,2-5,7-8,10H2,1H3,(H,18,19)/b9-6-
InChIKey
USYGFJALDRCDGW-TWGQIWQCSA-N
Compound name
(Z)-8,11-dihydroxypentadec-6-en-9-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.16745 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 167.1
[M+Na]+ 291.15667 172.1
[M-H]- 267.16017 162.0
[M+NH4]+ 286.20127 179.8
[M+K]+ 307.13061 168.4
[M+H-H2O]+ 251.16471 155.8
[M+HCOO]- 313.16565 177.3
[M+CH3COO]- 327.18130 198.6
[M+Na-2H]- 289.14212 164.2
[M]+ 268.16690 162.3
[M]- 268.16800 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.